N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide

C15H18N2O5 — CID 6930395

IUPACN-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC[C@@H](O)CNC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C15H18N2O5/c1-10-7-14(17-22-10)15(19)16-8-11(18)9-21-13-5-3-12(20-2)4-6-13/h3-7,11,18H,8-9H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyYVKYZKKTOVKDBH-NSHDSACASA-N
MW306.32 g/mol
LogP1.16
Rot. Bonds7

About N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 6930395) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID6930395
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC[C@@H](O)CNC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C15H18N2O5/c1-10-7-14(17-22-10)15(19)16-8-11(18)9-21-13-5-3-12(20-2)4-6-13/h3-7,11,18H,8-9H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyYVKYZKKTOVKDBH-NSHDSACASA-N
XLogP1.16
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 99780009
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-nitrobenzamide
CID 889930
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 6930395) is N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(OC[C@@H](O)CNC(=O)c2cc(C)on2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YVKYZKKTOVKDBH-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O5/c1-10-7-14(17-22-10)15(19)16-8-11(18)9-21-13-5-3-12(20-2)4-6-13/h3-7,11,18H,8-9H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6930395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).